(2S)-2-[2-[3-(3H-indol-3-yl)propanoylamino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[3-(3H-indol-3-yl)propanoylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[3-(3H-indol-3-yl)propanoylamino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[[3-(3H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[3-(3H-indol-3-yl)propanoylamino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[3-(3H-indol-3-yl)propanoylamino]acetyl]amino]-3-phenyl-propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)CCC2C=NC3=CC=CC=C23

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)CCC2C=NC3=CC=CC=C23

InChI

InChI=1S/C22H23N3O4/c26-20(11-10-16-13-23-18-9-5-4-8-17(16)18)24-14-21(27)25-19(22(28)29)12-15-6-2-1-3-7-15/h1-9,13,16,19H,10-12,14H2,(H,24,26)(H,25,27)(H,28,29)/t16?,19-/m0/s1